SCHEMBL3882579

SCHEMBL3882579

CC(Cc1ccc(OCC2CCCC2)c(-c2ccc3cc(S(N)(=O)=O)ccc3c2)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.40
CHUK O15111 2/20 0.40
SRC P12931 7/20 0.40
YES1 P07947 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
BRD4 O60885 3/20 0.38
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37
C5AR1 P21730 1/20 0.37
FAAH O00519 1/20 0.37
LDHA P00338 1/20 0.37
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CDK2 P24941 1/20 0.36
RORC P51449 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3894528 0.92 BRD4 (0.46) SRCPTGDR2BRD4
SCHEMBL3884083 0.90 RORC (0.39) SRCYES1PTGDR2BRD4KEAP1
SCHEMBL3883511 0.90 BRD4 (0.39) SRCYES1PTGDR2BRD4KEAP1
SCHEMBL3886531 0.89 C5AR1 (0.41) SRCYES1KEAP1NFE2L2C5AR1
SCHEMBL3883892 0.87 SRC (0.40) SRCYES1KEAP1NFE2L2C5AR1
SCHEMBL3882409 0.87 PTGER1 (0.42) SRCYES1KEAP1NFE2L2C5AR1
SCHEMBL3890246 0.86 PTGER1 (0.40) SRCYES1KEAP1NFE2L2C5AR1
SCHEMBL3882287 0.86 BRD4 (0.41) SRCYES1BRD4KEAP1NFE2L2
SCHEMBL3884439 0.86 C5AR1 (0.42) SRCYES1KEAP1NFE2L2C5AR1
SCHEMBL3881996 0.85 KEAP1 (0.40) SRCYES1KEAP1NFE2L2C5AR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed